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Home > Aldehydes > 101563-68-2
101563-68-2 | 4-Pyridazinecarboxaldehyde, 1,6-dihydro-6-oxo-3-phenyl-
CAS No: 101563-68-2 Catalog No: AG0004TG MDL No:
Product Description
Catalog Number:
AG0004TG
Chemical Name:
4-Pyridazinecarboxaldehyde, 1,6-dihydro-6-oxo-3-phenyl-
CAS Number:
101563-68-2
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
6-oxo-3-phenyl-1H-pyridazine-4-carbaldehyde
InChI:
InChI=1S/C11H8N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-7H,(H,12,15)
InChI Key:
OAIIYOIJFBMNOZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)[nH]nc1c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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